N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine

C16H35NO4 — CID 104566629

IUPACN-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)OCCOCCOCCOC
InChIInChI=1S/C16H35NO4/c1-6-7-15(14-17-16(2,3)4)21-13-12-20-11-10-19-9-8-18-5/h15,17H,6-14H2,1-5H3
InChIKeyTZVKXXJGAQTJQD-UHFFFAOYSA-N
MW305.46 g/mol
LogP2.24
Rot. Bonds14

About N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine

N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine (PubChem CID 104566629) has the molecular formula C16H35NO4 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine
PubChem CID104566629
Molecular FormulaC16H35NO4
Molecular Weight305.46 g/mol
Exact Mass305.26
IUPAC NameN-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)OCCOCCOCCOC
InChIInChI=1S/C16H35NO4/c1-6-7-15(14-17-16(2,3)4)21-13-12-20-11-10-19-9-8-18-5/h15,17H,6-14H2,1-5H3
InChIKeyTZVKXXJGAQTJQD-UHFFFAOYSA-N
XLogP2.24
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine
CID 103412332
N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine
CID 83044032
N-[3-methoxy-2-(2-methylpentoxy)propyl]-2-methylpropan-2-amine
CID 103285718
N-methyl-2-(2-propoxyethoxy)pentan-1-amine
CID 83044907
N-[2-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62457300
N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine
CID 83045953
2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566817
N-(2-ethoxy-3-methoxypropyl)-2-methylpropan-2-amine
CID 103227770
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine
CID 104566671
N-tert-butyl-2-ethyl-5-methoxypentan-1-amine
CID 62515551
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
2-(4-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79431613

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine?
The IUPAC name of N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine (CID 104566629) is N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine is CCCC(CNC(C)(C)C)OCCOCCOCCOC.
What is the InChIKey of N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine?
The InChIKey is TZVKXXJGAQTJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4/c1-6-7-15(14-17-16(2,3)4)21-13-12-20-11-10-19-9-8-18-5/h15,17H,6-14H2,1-5H3.
What are the key properties of N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine?
N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 2.24, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine is sourced from PubChem (CID 104566629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).